For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]-2-propenoyl}amino)hexanoic acid
SpectraBase Compound ID 6Sd2fxtl0xN
InChI InChI=1S/C23H23ClN2O6/c24-17-7-4-3-6-16(17)22(29)26-18(23(30)25-11-5-1-2-8-21(27)28)12-15-9-10-19-20(13-15)32-14-31-19/h3-4,6-7,9-10,12-13H,1-2,5,8,11,14H2,(H,25,30)(H,26,29)(H,27,28)/b18-12-
InChIKey BNBSHIRIAPWQLF-PDGQHHTCSA-N
Mol Weight 458.9 g/mol
Molecular Formula C23H23ClN2O6
Exact Mass 458.124464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3S9wZXwtuXM
Name 6-({(2Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]-2-propenoyl}amino)hexanoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H23ClN2O6/c24-17-7-4-3-6-16(17)22(29)26-18(23(30)25-11-5-1-2-8-21(27)28)12-15-9-10-19-20(13-15)32-14-31-19/h3-4,6-7,9-10,12-13H,1-2,5,8,11,14H2,(H,25,30)(H,26,29)(H,27,28)/b18-12-
InChIKey BNBSHIRIAPWQLF-PDGQHHTCSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11270
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 802450; Labnumber: AEGU8-1699; VK_ID: VK-011274
Synonyms 6-({3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]-2-propenoyl}amino)hexanoic acid
Temperature 308 °C